%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
O 0.59781379 -1.2814544 0.3080487
C -0.06585895 -2.52732307 0.01743111
H -0.98300768 -2.63896879 0.60516458
H -0.29156717 -2.62123656 -1.04994538
H 0.6405221 -3.31188311 0.30411221
Zn -0.01260949 0.32943598 0.07008201
N -0.38244333 2.2622816 -0.06387326
H 0.40550673 2.83084341 0.27061788
H -0.56596378 2.56611772 -1.02755555
H -1.19841302 2.55024924 0.48925143

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd


